Geometry & MOs

Info

ID:	272844
PubChem CID:	103761931
Reduced:	ClFNSO2C11H15 (1)
Stoich.:	ABCDE2F11G15 (1)
Weight, g/mol:	264.082954
ΔH_f, kcal/mol:	-126.15
Dipole, Da:	7.62
IP(EA), eV:	-9.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-3-ylethanamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNCC1=C(C(=CC=C1)Cl)F

DOS

IR

Vibrations